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LaPm(HoIn)2

Alexandria ALEX

Alex-ID: agm057308545 · Space group: Pmc2_1 (#26)

Alexandria Database API

Basic Information

Formula
LaPm(HoIn)2
Alex-ID
agm057308545
Elements
4
Sites
12
Space group
Pmc2_1 (#26)
Crystal system
orthorhombic
Volume
360.64
ų
Cell a
5.2416
Å
Cell b
6.8432
Å
Cell c
10.0542
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaPm(HoIn)2
La
2.00 · 16.7%
Pm
2.00 · 16.7%
Ho
4.00 · 33.3%
In
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0166
eV/atom
Formation energy
-0.3396
eV/atom
Corrected total energy
-52.8237
eV
Raw total energy
-52.8237
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0097
eV
DOS at Fermi level
12.7640
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D2_280_spg26

Decomposition

Pm5HoIn2 Pm5In3 Ho2In La4HoIn3

Computed at

2025-02-26 22:21:49

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm057308545).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX 
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm057308545
data_agm057308545
_cell_length_a     5.24158
_cell_length_b     6.84318
_cell_length_c     10.05422
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       360.63559
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  La1 La 0.50000 0.19831 0.32108 1.00000
  La2 La 0.50000 0.69831 0.67892 1.00000
  Pm1 Pm 0.00000 0.97193 0.54017 1.00000
  Pm2 Pm 0.00000 0.47193 0.45983 1.00000
  Ho1 Ho 0.50000 0.04471 0.96419 1.00000
  Ho2 Ho 0.00000 0.31867 0.82192 1.00000
  Ho3 Ho 0.50000 0.54471 0.03581 1.00000
  Ho4 Ho 0.00000 0.81867 0.17808 1.00000
  In1 In 0.00000 0.29590 0.13143 1.00000
  In2 In 0.50000 0.21673 0.65498 1.00000
  In3 In 0.00000 0.79590 0.86857 1.00000
  In4 In 0.50000 0.71673 0.34502 1.00000
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